N-(2-methoxyethyl)-N'-[[4-(3-morpholin-4-ylpropylamino)-4-oxobutan-2-ylidene]amino]oxamide

C16H29N5O5 — CID 3849029

IUPACN-(2-methoxyethyl)-N'-[[4-(3-morpholin-4-ylpropylamino)-4-oxobutan-2-ylidene]amino]oxamide
SMILESCOCCNC(=O)C(=O)NN=C(C)CC(=O)NCCCN1CCOCC1
InChIInChI=1S/C16H29N5O5/c1-13(19-20-16(24)15(23)18-5-9-25-2)12-14(22)17-4-3-6-21-7-10-26-11-8-21/h3-12H2,1-2H3,(H,17,22)(H,18,23)(H,20,24)
InChIKeyLKGZUEFLTZNFRE-UHFFFAOYSA-N
MW371.44 g/mol
LogP-1.53
Rot. Bonds10

About N-(2-methoxyethyl)-N'-[[4-(3-morpholin-4-ylpropylamino)-4-oxobutan-2-ylidene]amino]oxamide

N-(2-methoxyethyl)-N'-[[4-(3-morpholin-4-ylpropylamino)-4-oxobutan-2-ylidene]amino]oxamide (PubChem CID 3849029) has the molecular formula C16H29N5O5 and a molecular weight of 371.44 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N'-[[4-(3-morpholin-4-ylpropylamino)-4-oxobutan-2-ylidene]amino]oxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N'-[[4-(3-morpholin-4-ylpropylamino)-4-oxobutan-2-ylidene]amino]oxamide
PubChem CID3849029
Molecular FormulaC16H29N5O5
Molecular Weight371.44 g/mol
Exact Mass371.22
IUPAC NameN-(2-methoxyethyl)-N'-[[4-(3-morpholin-4-ylpropylamino)-4-oxobutan-2-ylidene]amino]oxamide
SMILESCOCCNC(=O)C(=O)NN=C(C)CC(=O)NCCCN1CCOCC1
InChIInChI=1S/C16H29N5O5/c1-13(19-20-16(24)15(23)18-5-9-25-2)12-14(22)17-4-3-6-21-7-10-26-11-8-21/h3-12H2,1-2H3,(H,17,22)(H,18,23)(H,20,24)
InChIKeyLKGZUEFLTZNFRE-UHFFFAOYSA-N
XLogP-1.53
TPSA121.36 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 5-1.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(2-methoxyethyl)-N'-[[4-(3-morpholin-4-ylpropylamino)-4-oxobutan-2-ylidene]amino]oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[amino-(3-morpholin-4-ylpropylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide
CID 111037016
2-(2-methoxyethoxy)-N-(3-morpholin-4-ylpropyl)acetamide
CID 103606858
2-(2-methoxyethylamino)-N-(4-morpholin-4-ylbutyl)acetamide;dihydrochloride
CID 119852507
N,N'-bis(3-morpholin-4-ylpropyl)propanediamide
CID 21205309
2-bromo-N-(3-morpholin-4-ylpropyl)acetamide
CID 52984035
1-(3-methoxypropyl)-3-(3-morpholin-4-ylpropyl)thiourea
CID 115570403
N'-(3-morpholin-4-ylpropyl)-N-octadecyloxamide
CID 18968645
1-ethyl-3-(2-methoxyethyl)-2-(4-morpholin-4-ylbutyl)guanidine
CID 110939994
2-amino-3-methoxy-N-(3-morpholin-4-ylpropyl)propanamide
CID 81081646
2-(3-morpholin-4-ylpropylamino)-2-oxoacetic acid
CID 43444981
N-(3-morpholin-4-ylpropyl)-N'-(2-piperazin-1-ylethyl)oxamide
CID 108517732
1-ethyl-3-(2-methoxyethyl)-2-(4-morpholin-4-ylbutyl)guanidine;hydroiodide
CID 110939993

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N'-[[4-(3-morpholin-4-ylpropylamino)-4-oxobutan-2-ylidene]amino]oxamide?
The IUPAC name of N-(2-methoxyethyl)-N'-[[4-(3-morpholin-4-ylpropylamino)-4-oxobutan-2-ylidene]amino]oxamide (CID 3849029) is N-(2-methoxyethyl)-N'-[[4-(3-morpholin-4-ylpropylamino)-4-oxobutan-2-ylidene]amino]oxamide.
What is the SMILES notation for N-(2-methoxyethyl)-N'-[[4-(3-morpholin-4-ylpropylamino)-4-oxobutan-2-ylidene]amino]oxamide?
The canonical SMILES for N-(2-methoxyethyl)-N'-[[4-(3-morpholin-4-ylpropylamino)-4-oxobutan-2-ylidene]amino]oxamide is COCCNC(=O)C(=O)NN=C(C)CC(=O)NCCCN1CCOCC1.
What is the InChIKey of N-(2-methoxyethyl)-N'-[[4-(3-morpholin-4-ylpropylamino)-4-oxobutan-2-ylidene]amino]oxamide?
The InChIKey is LKGZUEFLTZNFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5O5/c1-13(19-20-16(24)15(23)18-5-9-25-2)12-14(22)17-4-3-6-21-7-10-26-11-8-21/h3-12H2,1-2H3,(H,17,22)(H,18,23)(H,20,24).
What are the key properties of N-(2-methoxyethyl)-N'-[[4-(3-morpholin-4-ylpropylamino)-4-oxobutan-2-ylidene]amino]oxamide?
N-(2-methoxyethyl)-N'-[[4-(3-morpholin-4-ylpropylamino)-4-oxobutan-2-ylidene]amino]oxamide has a molecular weight of 371.44 g/mol, XLogP of -1.53, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N'-[[4-(3-morpholin-4-ylpropylamino)-4-oxobutan-2-ylidene]amino]oxamide is sourced from PubChem (CID 3849029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).